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Compound InformationSONAR Target prediction
Name:

DIHYDROJASMONIC ACID, METHYL ESTER

Unique Identifier:SPE01504910
MolClass: Checkout models in ver1.5 and ver1.0
Molecular Formula:
Molecular Weight:204.137 g/mol
X log p:-0.243  (online calculus)
Lipinksi Failures0
TPSA43.37
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptors Count:3
Rotatable Bond Count:7
Canonical Smiles:CCCCCC1C(CCC1=O)CC(=O)OC
Class:alkane
Source:Jasminium spp and Vicia faba
Reference:Helv Chim Acta 57: 1301 (1974); Tet Lett 3413 (1974); JACS 97: 6144 (1975); PNAS 98:
4788 (2001)
Therapeutics:plant growth regulator

Found: 1 active | as graph: single | with analogs
Species: 4932
Condition: KAP123
Replicates: 2
Raw OD Value: r im 0.5046±0.00254558
Normalized OD Score: sc h 0.8979±0.00833633
Z-Score: -4.1108±0.646417
p-Value: 0.000131684
Z-Factor: -0.285631
Fitness Defect: 8.9351
Bioactivity Statement: Active
Experimental Conditions
Library:Spectrum
Plate Number and Position:6|H9
Drug Concentration:50.00 nM
OD Absorbance:600 nm
Robot Temperature:24.50 Celcius
Date:2007-11-09 YYYY-MM-DD
Plate CH Control (+):0.040575±0.00074
Plate DMSO Control (-):0.5507±0.01865
Plate Z-Factor:0.8867
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DBLink | Rows returned: 71<< Back 1 2 3 4 5 6 7 8 9 10  Next >> 
538544 methyl 3-acetyl-4,4-dimethyl-2-(2-oxopropyl)cyclopentane-1-carboxylate
538955 methyl 3-(1-acetyl-2,2-dimethyl-cyclopentyl)propanoate
543778 methyl 3-(2-oxocyclopentyl)propanoate
544424 methyl 3-[3-(2-methoxycarbonylethyl)-2-oxo-cyclopentyl]propanoate
566095 methyl 2-(3-oxocyclohexyl)acetate
574325 methyl 3-(1-methyl-2-oxo-cyclohexyl)propanoate

internal high similarity DBLink | Rows returned: 111 2 Next >> 
SPE00270051 0.9091
JFD 01973 0.9091
FM 00119 0.9091
BTB 15024 0.9091
BTBG 00226 0.9706
JFD 01004 0.9706

nonactive | Cluster 11884 | Additional Members: 2 | Rows returned: 1
SPE01504104 0

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